XIA Jie
Dr. Xia is currently an associate professor at IMM, CAMS & PUMC. He graduated with a Ph.D. degree in medicinal chemistry from Peking University School of Pharmaceutical Sciences in 2015. During the period between 2012 and 2014, he was a visiting Ph.D. student in the lab of AI for drug discovery in DC Center for AIDS Research, USA. His research interest is computer-aided drug design (CADD) and artificial intelligence for drug discovery (AIDD).
He has published, as first author or corresponding author, 17 papers in internationally peer-reviewed journals such as European Journal of Medicinal Chemistry and Journal of Chemical Information and Modeling. He has received 3 certificates of computer software copyrights, applied for 7 Chinese patents, and coedited one book on computer aided drug design. He contributed to the discovery of a candidate drug for the treatment of NASH, which was technologically transferred to a pharmaceutical company and is now under preclinical development. He is a principal investigator or co-investigator of 7 grants.
1. Anti-MRSA drug discovery by ligand-based virtual screening and biological evaluation. Bioorganic Chemistry, 2021, 114: 105042.
2. HDAC3i-Finder: a machine learning-based computational tool to screen for HDAC3 inhibitors. Molecular Informatics, 2021, 40(3):e2000105.
3. N-thiadiazole-4-hydroxy-2-quinolone-3-carboxamides bearing heteroaromatic rings as novel antibacterial agents: design, synthesis, biological evaluation and target identification. European Journal of Medicinal Chemistry, 2020, 188:112022.
4. Pose filter-based ensemble learning enables discovery of orally active, nonsteroidal farnesoid X receptor agonists. Journal of Chemical Information and Modeling, 2020, 60(3):1202-1214.
5. MUBD-DecoyMaker 2.0: A Python GUI application to generate maximal unbiased benchmarking data sets for virtual drug screening. Molecular Informatics, 2020, 39(4):e1900151.
6. Discovery of potent PTP1B inhibitors via structure-based drug design, synthesis and in vitro bioassay of Norathyriol derivatives. Bioorganic Chemistry, 2019, 86, 224-234.
7. The development of target-specific pose filter ensembles to boost ligand enrichment for structure-based virtual screening. Journal of Chemical Information and Modeling, 2017, 57 (6), 1414–1425.
8. Comparative modeling and benchmarking data sets for human histone deacetylases and sirtuin families. Journal of Chemical Information and Modeling, 2015, 55(2): 374-388.
9. An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs. Journal of Chemical Information and Modeling, 2014, 54(5): 1433-1450.
Frequently-used Tutorials on Computer-Aided Drug Design. China Medical Science Press. 2017. Liangren Zhang (Editor-in-Chief). Editorial Board Member (Chapter 9).
2012-2014, National Scholarship for Study Abroad, Ministry of Education, China.
